N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

C19H31NO4S — CID 163283839

IUPACN-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCCOc1c(C2(C)OCCO2)ccc([C@@H](C)NS(=O)C(C)(C)C)c1C
InChIInChI=1S/C19H31NO4S/c1-8-22-17-13(2)15(14(3)20-25(21)18(4,5)6)9-10-16(17)19(7)23-11-12-24-19/h9-10,14,20H,8,11-12H2,1-7H3/t14-,25?/m1/s1
InChIKeyARTUWWHFNHIERC-SUUGVPPDSA-N
MW369.53 g/mol
LogP3.73
Rot. Bonds6

About N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 163283839) has the molecular formula C19H31NO4S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID163283839
Molecular FormulaC19H31NO4S
Molecular Weight369.53 g/mol
Exact Mass369.20
IUPAC NameN-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCCOc1c(C2(C)OCCO2)ccc([C@@H](C)NS(=O)C(C)(C)C)c1C
InChIInChI=1S/C19H31NO4S/c1-8-22-17-13(2)15(14(3)20-25(21)18(4,5)6)9-10-16(17)19(7)23-11-12-24-19/h9-10,14,20H,8,11-12H2,1-7H3/t14-,25?/m1/s1
InChIKeyARTUWWHFNHIERC-SUUGVPPDSA-N
XLogP3.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 163283839) is N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is CCOc1c(C2(C)OCCO2)ccc([C@@H](C)NS(=O)C(C)(C)C)c1C.
What is the InChIKey of N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is ARTUWWHFNHIERC-SUUGVPPDSA-N. The full InChI is InChI=1S/C19H31NO4S/c1-8-22-17-13(2)15(14(3)20-25(21)18(4,5)6)9-10-16(17)19(7)23-11-12-24-19/h9-10,14,20H,8,11-12H2,1-7H3/t14-,25?/m1/s1.
What are the key properties of N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 369.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163283839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).